CID 2051423

717904-42-2

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C1CN(CCN1CCO)C(=O)CC(=O)O
InChI
InChI=1S/C9H16N2O4/c12-6-5-10-1-3-11(4-2-10)8(13)7-9(14)15/h12H,1-7H2,(H,14,15)
InChIKey
XLHYKWPNPDXNFG-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11101 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.118286 148.9
[M+Na]+ 239.100228 153.3
[M-H]- 215.103734 146.1
[M+NH4]+ 234.144833 163.0
[M+K]+ 255.074168 151.9
[M+H-H2O]+ 199.108270 141.8
[M+HCOO]- 261.109211 162.8
[M+CH3COO]- 275.124861 181.5
[M+Na-2H]- 237.085676 150.1
[M]+ 216.11046142 145.3
[M]- 216.11155858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.